SCHEMBL342022

SCHEMBL342022

CC(CCN)N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
HDAC6 Q9UBN7 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL342023 1.00 GABRR1 (0.35) GABRR1HDAC6AAK1MEN1GAA
SCHEMBL18634785 0.82 HDAC6 (0.33) HDAC6
SCHEMBL5724032 0.80 HDAC6 (0.34) HDAC6MEN1GAAKMT2A
SCHEMBL20247628 0.77 HDAC6 (0.33) HDAC6
SCHEMBL343494 0.77 CTSS (0.38) HDAC6
SCHEMBL343493 0.77 CTSS (0.38) HDAC6
SCHEMBL3901647 0.76 HDAC6 (0.32) HDAC6
SCHEMBL9188157 0.74 MAOB (0.48)
SCHEMBL9190936 0.74 MAOB (0.48)
SCHEMBL11251412 0.74 EPOR (0.39) MEN1GAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 GABRR1 517/4885HDAC6 1246/4885AAK1 1557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.